(2S)-2-benzamido-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]pentanediamide

Systemtic Name: (2S)-2-benzamido-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]pentanediamide Openeye Name: (2S)-2-benzamido-N-[(1S)-1-[[(1S)-1-[[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-phenyl-propyl]carbamoyl]pentyl]pentanediamide CAS Name: (2S)-2-benzamido-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide IUPAC Name: (2S)-2-benzamido-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide Traditional Name: (2S)-2-benzamido-N-[(1S)-1-[[(1S)-1-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-phenyl-propyl]carbamoyl]pentyl]glutaramide Formula: C39H58N6O6 MolecularWeight: 706.91442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NCCC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H58N6O6/c1-6-7-18-30(43-38(50)32(21-22-34(40)46)42-35(47)29-16-12-9-13-17-29)37(49)44-31(20-19-28-14-10-8-11-15-28)39(51)45-33(25-27(4)5)36(48)41-24-23-26(2)3/h8-17,26-27,30-33H,6-7,18-25H2,1-5H3,(H2,40,46)(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H,45,51)/t30-,31-,32-,33-/m0/s1